Glycoside
GD141049
Name:
3-({6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acidFormula:
C17H19O9NSmiles:
N#CC(OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)CC(=O)O.N#CC(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.34 | Num_heavy_atoms: | 27 |
| TPSA: | 166.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
